1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine

C214H433N27O6 — CID 158178763

IUPAC1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine
SMILESCC(C)(C)CCC1CCN(CC(C)(C)C)CC1.CC(C)(C)CCC1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2C[C@H]3C[C@@H]2CN3C(C)(C)C)CC1.CC(C)(C)CCN1CCN(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCOC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OC1CCC(OCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OC1CCN(CC2CCN(C(C)(C)C)CC2)C1.CC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)OC(C)(C)C
InChIInChI=1S/C21H41N3.2C21H42N2.2C20H41N3.2C20H40N2O2.C19H40N4.C18H37N3O.C18H36N2O.C16H33N/c1-20(2,3)9-12-22-10-7-17(8-11-22)14-23-15-19-13-18(23)16-24(19)21(4,5)6;1-20(2,3)11-16-22-12-7-18(8-13-22)17-23-14-9-19(10-15-23)21(4,5)6;1-20(2,3)12-7-18-8-13-22(14-9-18)17-19-10-15-23(16-11-19)21(4,5)6;2*1-19(2,3)9-12-21-10-7-18(8-11-21)17-22-13-15-23(16-14-22)20(4,5)6;1-16(23-19(2,3)4)14-21-8-10-22(11-9-21)15-17-12-18(13-17)24-20(5,6)7;1-19(2,3)22-13-11-21(12-14-22)15-16-23-17-7-9-18(10-8-17)24-20(4,5)6;1-18(2,3)7-8-20-9-11-21(12-10-20)17-22-13-15-23(16-14-22)19(4,5)6;1-17(2,3)20-11-9-19(10-12-20)13-14-22-16-7-8-21(15-16)18(4,5)6;1-17(2,3)20-11-7-15(8-12-20)13-19-10-9-16(14-19)21-18(4,5)6;1-15(2,3)10-7-14-8-11-17(12-9-14)13-16(4,5)6/h17-19H,7-16H2,1-6H3;2*18-19H,7-17H2,1-6H3;2*18H,7-17H2,1-6H3;16-18H,8-15H2,1-7H3;17-18H,7-16H2,1-6H3;7-17H2,1-6H3;16H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;14H,7-13H2,1-6H3/t18-,19-;;;;;;;;;;/m1........../s1
InChIKeyFYHYWTQUTSXLJI-HRIISEAOSA-N
MW3481.00 g/mol
LogP40.33
Rot. Bonds45

About 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine

1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine (PubChem CID 158178763) has the molecular formula C214H433N27O6 and a molecular weight of 3481.00 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine
PubChem CID158178763
Molecular FormulaC214H433N27O6
Molecular Weight3481.00 g/mol
Exact Mass3478.44
IUPAC Name1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine
SMILESCC(C)(C)CCC1CCN(CC(C)(C)C)CC1.CC(C)(C)CCC1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2C[C@H]3C[C@@H]2CN3C(C)(C)C)CC1.CC(C)(C)CCN1CCN(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCOC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OC1CCC(OCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OC1CCN(CC2CCN(C(C)(C)C)CC2)C1.CC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)OC(C)(C)C
InChIInChI=1S/C21H41N3.2C21H42N2.2C20H41N3.2C20H40N2O2.C19H40N4.C18H37N3O.C18H36N2O.C16H33N/c1-20(2,3)9-12-22-10-7-17(8-11-22)14-23-15-19-13-18(23)16-24(19)21(4,5)6;1-20(2,3)11-16-22-12-7-18(8-13-22)17-23-14-9-19(10-15-23)21(4,5)6;1-20(2,3)12-7-18-8-13-22(14-9-18)17-19-10-15-23(16-11-19)21(4,5)6;2*1-19(2,3)9-12-21-10-7-18(8-11-21)17-22-13-15-23(16-14-22)20(4,5)6;1-16(23-19(2,3)4)14-21-8-10-22(11-9-21)15-17-12-18(13-17)24-20(5,6)7;1-19(2,3)22-13-11-21(12-14-22)15-16-23-17-7-9-18(10-8-17)24-20(4,5)6;1-18(2,3)7-8-20-9-11-21(12-10-20)17-22-13-15-23(16-14-22)19(4,5)6;1-17(2,3)20-11-9-19(10-12-20)13-14-22-16-7-8-21(15-16)18(4,5)6;1-17(2,3)20-11-7-15(8-12-20)13-19-10-9-16(14-19)21-18(4,5)6;1-15(2,3)10-7-14-8-11-17(12-9-14)13-16(4,5)6/h17-19H,7-16H2,1-6H3;2*18-19H,7-17H2,1-6H3;2*18H,7-17H2,1-6H3;16-18H,8-15H2,1-7H3;17-18H,7-16H2,1-6H3;7-17H2,1-6H3;16H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;14H,7-13H2,1-6H3/t18-,19-;;;;;;;;;;/m1........../s1
InChIKeyFYHYWTQUTSXLJI-HRIISEAOSA-N
XLogP40.33
TPSA142.86 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds45
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003481.00
LogP ≤ 540.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine (CID 158178763) is 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine is CC(C)(C)CCC1CCN(CC(C)(C)C)CC1.CC(C)(C)CCC1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2C[C@H]3C[C@@H]2CN3C(C)(C)C)CC1.CC(C)(C)CCN1CCN(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCOC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OC1CCC(OCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OC1CCN(CC2CCN(C(C)(C)C)CC2)C1.CC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)OC(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine?
The InChIKey is FYHYWTQUTSXLJI-HRIISEAOSA-N. The full InChI is InChI=1S/C21H41N3.2C21H42N2.2C20H41N3.2C20H40N2O2.C19H40N4.C18H37N3O.C18H36N2O.C16H33N/c1-20(2,3)9-12-22-10-7-17(8-11-22)14-23-15-19-13-18(23)16-24(19)21(4,5)6;1-20(2,3)11-16-22-12-7-18(8-13-22)17-23-14-9-19(10-15-23)21(4,5)6;1-20(2,3)12-7-18-8-13-22(14-9-18)17-19-10-15-23(16-11-19)21(4,5)6;2*1-19(2,3)9-12-21-10-7-18(8-11-21)17-22-13-15-23(16-14-22)20(4,5)6;1-16(23-19(2,3)4)14-21-8-10-22(11-9-21)15-17-12-18(13-17)24-20(5,6)7;1-19(2,3)22-13-11-21(12-14-22)15-16-23-17-7-9-18(10-8-17)24-20(4,5)6;1-18(2,3)7-8-20-9-11-21(12-10-20)17-22-13-15-23(16-14-22)19(4,5)6;1-17(2,3)20-11-9-19(10-12-20)13-14-22-16-7-8-21(15-16)18(4,5)6;1-17(2,3)20-11-7-15(8-12-20)13-19-10-9-16(14-19)21-18(4,5)6;1-15(2,3)10-7-14-8-11-17(12-9-14)13-16(4,5)6/h17-19H,7-16H2,1-6H3;2*18-19H,7-17H2,1-6H3;2*18H,7-17H2,1-6H3;16-18H,8-15H2,1-7H3;17-18H,7-16H2,1-6H3;7-17H2,1-6H3;16H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;14H,7-13H2,1-6H3/t18-,19-;;;;;;;;;;/m1........../s1.
What are the key properties of 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine?
1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine has a molecular weight of 3481.00 g/mol, XLogP of 40.33, 45 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine is sourced from PubChem (CID 158178763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).